(2-ethylpiperidin-1-yl)-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone

C21H23FN4O — CID 20915376

IUPAC(2-ethylpiperidin-1-yl)-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
SMILESCCC1CCCCN1C(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1
InChIInChI=1S/C21H23FN4O/c1-2-17-7-3-4-14-25(17)21(27)19-15-23-26(18-10-8-16(22)9-11-18)20(19)24-12-5-6-13-24/h5-6,8-13,15,17H,2-4,7,14H2,1H3
InChIKeyHDZPTEBXHYWBOD-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.21
Rot. Bonds4

About (2-ethylpiperidin-1-yl)-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone

(2-ethylpiperidin-1-yl)-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone (PubChem CID 20915376) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
PubChem CID20915376
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name(2-ethylpiperidin-1-yl)-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
SMILESCCC1CCCCN1C(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1
InChIInChI=1S/C21H23FN4O/c1-2-17-7-3-4-14-25(17)21(27)19-15-23-26(18-10-8-16(22)9-11-18)20(19)24-12-5-6-13-24/h5-6,8-13,15,17H,2-4,7,14H2,1H3
InChIKeyHDZPTEBXHYWBOD-UHFFFAOYSA-N
XLogP4.21
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone (CID 20915376) is (2-ethylpiperidin-1-yl)-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone is CCC1CCCCN1C(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone?
The InChIKey is HDZPTEBXHYWBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-2-17-7-3-4-14-25(17)21(27)19-15-23-26(18-10-8-16(22)9-11-18)20(19)24-12-5-6-13-24/h5-6,8-13,15,17H,2-4,7,14H2,1H3.
What are the key properties of (2-ethylpiperidin-1-yl)-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone?
(2-ethylpiperidin-1-yl)-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone has a molecular weight of 366.44 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone is sourced from PubChem (CID 20915376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).